Zentexia uses In silico models in all stages of drug discovery and preclinical development. With the recent advances in AI, optimization of target binding of small molecules as well as effective screening of off-target effects can be accomplished together with crucial ADMET properties.

Besides using in silico modelling as central methodology in its own development programs, Zentexia offers in silico modelling services on a contract basis.

These services include:

Early preclinical

Finding small molecule leads for specific targets in discovery phase, including exploration of chemical space and off-target effects, as well as ADMET properties.

Late preclinical / early clinical

Simulation of dosage routes and formulation effects in mammals as well as humans, including concentrations in target tissues. Simulations of human PK studies and PBPK in accordance with current guidelines.

Contact us for further information.